Molecule

ID:60112

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃N
Molecular Mass
241.37122
Exact Mass
241.18304974
Charge
0
InChI
InChI=1S/C17H23N/c18-16(15-4-2-1-3-5-15)17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14,16H,6-11,18H2
InChIKey
RKXNBHCKARUOTD-UHFFFAOYSA-N
Canonic Smiles
NC(C12CC3CC(C2)CC(C1)C3)c1ccccc1
Isomeric Smiles
c1cc(ccc1)C(N)C12CC3CC(C1)CC(C2)C3
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.59532356
LogD (pH = 7.4)
1.5227544
Log P
3.584671
Molar Refractivity
74.3861
Polarizability
29.98427
Polar Surface Area
26.02
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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